Chemical Compound

(alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid [(2aR,11S)-6-oxo-12bbeta-acetoxy-12beta-benzoyloxy-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4beta,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benzo[1,2-b]oxete]-9beta-yl ester

CAS Registry Number 105377-71-7
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(alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid [(2aR,11S)-6-oxo-12bbeta-acetoxy-12beta-benzoyloxy-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4beta,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benzo[1,2-b]oxete]-9beta-yl ester 结构式
Primary record

(alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid [(2aR,11S)-6-oxo-12bbeta-acetoxy-12beta-benzoyloxy-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4beta,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benzo[1,2-b]oxete]-9beta-yl ester

库存
2,675 克
纯度
99.1 %
CAS
105377-71-7

化合物标识与属性

CAS
105377-71-7
PubChem CID
184475
SMILES
CC1=C2C(=O)C(=O)[C@@]3([C@@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C
Canonical SMILES
CC(=O)O[C@@]12CO[C@@H]1C[C@@H](O)[C@@]1(C)C(=O)C(=O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)c4ccccc4)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C

名称与同义词

  • Taxane Ia
  • AC1L4EYT
  • 10-deacetyl-10-oxo-7-epi-taxol
  • SCHEMBL29520773
  • 7-epi-10-oxo-10-deacetyltaxol
  • DTXSID30909476
  • 10-Deacetyl-10-oxo-7-epitaxol
  • KST-1A0712
  • AR-1A3726
  • CID184475
  • 105377-71-7
  • DEACETYLTAXOL, 7-EPI-10-OXO-10- (P)
  • J1.543.322A
  • [(1S,2S,3R,4S,7R,9R,10S,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
  • (2|A,5|A,7|A,13|A)-4-(acetyloxy)-13-{[(2r,3s)-3-(benzoylamino)-2-hydroxy-3-phenylpropanoyl]oxy}-1,7-dihydroxy-9,10-dioxo-5,20-epoxytax-11-en-2-yl benzoate
  • 115217-60-2
  • (1S,2S,3R,4S,7R,9R,10S,15S)-4-(acetyloxy)-1,9-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-10,14,17,17-tetramethyl-11,12-dioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl benzoate
  • (alphaR,betaS)-beta-(Benzoylamino)-alpha-hydroxybenzenepropanoic acid [(2aR,11S)-6-oxo-12bbeta-acetoxy-12beta-benzoyloxy-2abeta,3,4,4a,5,6,9,10,11,12,12abeta,12b-dodecahydro-4beta,11-dihydroxy-4aalpha,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benzo[1,2-b]oxete]-9beta-yl ester
  • N-(3-{[4-(Acetyloxy)-2-(benzoyloxy)-1,7-dihydroxy-9,10-dioxo-5,20-epoxytax-11-en-13-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl)benzenecarboximidic acid
  • N-[(1S,2R)-3-{[4-(Acetyloxy)-2alpha-(benzoyloxy)-1,7alpha-dihydroxy-9,10-dioxo-4alpha,5beta-5,20-epoxytax-11-en-13alpha-yl]oxy}-2-hydroxy-3-oxo-1-phenylpropyl]benzenecarboximidic acid